Re: [votca] potential_shift.pl --type angle failed in step 5

Hi Christoph, On Tuesday, April 10, 2018 at 4:28:30 PM UTC-4, Christoph Junghans wrote: > > On Sun, Apr 8, 2018 at 8:17 PM, Alexander Alexander > wrote: > > > > Thanks Christoph. > > > > I know they are zero, and > > > >> wrote: > >> > > >>

Re: [votca] potential_shift.pl --type angle failed in step 5

On Tue, Apr 10, 2018 at 2:50 PM, Alexander Alexander wrote: > > Hi Christoph, > > On Tuesday, April 10, 2018 at 4:28:30 PM UTC-4, Christoph Junghans wrote: >> >> On Sun, Apr 8, 2018 at 8:17 PM, Alexander Alexander >> wrote: >> > >> > Thanks

Re: [votca] potential_shift.pl --type angle failed in step 5

On Sun, Apr 8, 2018 at 8:17 PM, Alexander Alexander wrote: > > Thanks Christoph. > > I know they are zero, and > >> wrote: >> > >> > Dear all, >> > >> > The potential_shift.pl crashes in IBI for some of the bond and angles in >> > step 5, I have